N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride

C21H27ClFN3O — CID 174377053

IUPACN-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccc(CN2CCN(c3ccccc3F)CC2)cc1.Cl
InChIInChI=1S/C21H26FN3O.ClH/c1-17(26)23-11-10-18-6-8-19(9-7-18)16-24-12-14-25(15-13-24)21-5-3-2-4-20(21)22;/h2-9H,10-16H2,1H3,(H,23,26);1H
InChIKeyPSRQQJDOHZAJNB-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.25
Rot. Bonds6

About N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride

N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride (PubChem CID 174377053) has the molecular formula C21H27ClFN3O and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
PubChem CID174377053
Molecular FormulaC21H27ClFN3O
Molecular Weight391.92 g/mol
Exact Mass391.18
IUPAC NameN-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
SMILESCC(=O)NCCc1ccc(CN2CCN(c3ccccc3F)CC2)cc1.Cl
InChIInChI=1S/C21H26FN3O.ClH/c1-17(26)23-11-10-18-6-8-19(9-7-18)16-24-12-14-25(15-13-24)21-5-3-2-4-20(21)22;/h2-9H,10-16H2,1H3,(H,23,26);1H
InChIKeyPSRQQJDOHZAJNB-UHFFFAOYSA-N
XLogP3.25
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-[[4-(2-bromo-4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174367800
N-[2-[4-[[4-(4-fluoro-2-propan-2-ylphenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride
CID 174378267
N-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]acetamide
CID 142872622
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 27150831
N-[2-[4-[[4-[3-(aminomethyl)phenyl]piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 174378709
3-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(2-phenylethyl)propanamide
CID 108963817
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 51242573
N-[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide
CID 23826694
2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 94722706
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
2-(4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42267208
[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]phenyl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 43922439

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride (CID 174377053) is N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride is CC(=O)NCCc1ccc(CN2CCN(c3ccccc3F)CC2)cc1.Cl.
What is the InChIKey of N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is PSRQQJDOHZAJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O.ClH/c1-17(26)23-11-10-18-6-8-19(9-7-18)16-24-12-14-25(15-13-24)21-5-3-2-4-20(21)22;/h2-9H,10-16H2,1H3,(H,23,26);1H.
What are the key properties of N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride?
N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 174377053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).